SCHEMBL8095729

SCHEMBL8095729

CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CC(=O)c2ccccc21)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 11/20 0.67
CCKBR P32239 11/20 0.67
ALDH1A1 P00352 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8081918 0.85 CCKBR (0.67) CCKARCCKBR
SCHEMBL8089860 0.85 CCKAR (0.66) CCKARCCKBR
SCHEMBL23777550 0.80 CCKAR (1.00) CCKARCCKBR
SCHEMBL3890199 0.80 CCKAR (1.00) CCKARCCKBR
SCHEMBL29440045 0.80 CCKAR (1.00) CCKARCCKBR
SCHEMBL8081904 0.77 CCKBR (0.63) CCKARCCKBR
SCHEMBL5925137 0.77 CCKAR (0.67) CCKARCCKBRALDH1A1
SCHEMBL8089882 0.76 CCKAR (0.62) CCKARCCKBR
SCHEMBL8785301 0.75 CCKAR (0.58) CCKARCCKBRALDH1A1
SCHEMBL8806407 0.75 CCKAR (0.79) CCKARCCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed